Vitas-M small molecule compound
2-(4-methoxybenzyl)-3-methylbutanedioic acid
Catalog ID
STL443582
SMILES COc1ccc(cc1)CC(C(C(=O)O)C)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C13H16O5 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16O5/c1-8(12(14)15)11(13(16)17)7-9-3-5-10(18-2)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)InChIKey
NPRHTWLQMBOOEJ-UHFFFAOYSA-NSynonyms
2((4methoxyphenyl)methyl)3methylbutanedioicacid
2(4methoxybenzyl)3methylbutanedioicacid
CC(C(CC1=CC=C(C=C1)OC)C(=O)O)C(=O)O
InChI=1SC13H16O5c18(12(14)15)11(13(16)17)793510(182)649h36811H7H212H3(H1415)(H1617)
MFCD01029374
ZINC000005368325
ZINC000005372781
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